BDBM50461483 CHEMBL4226891

SMILES: Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=IBSOPQYKTQLOPF-LBNVMWSVSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50461483   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasmepsin 4 (PM-IV) (Plasmodium falciparum)	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair